Publications by authors named "Katja Valjavec"

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Unveiling the interdomain dynamics of type II DNA topoisomerase through all-atom simulations: Implications for understanding its catalytic cycle.
Matic Pavlin, Barbara Herlah, Katja Valjavec, Andrej Perdih

Comput Struct Biotechnol J· July 2023

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Catalytic Mechanism of ATP Hydrolysis in the ATPase Domain of Human DNA Topoisomerase IIα.
Mitja Ogrizek, Matej Janežič, Katja Valjavec, Andrej Perdih

J Chem Inf Model· August 2022

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Design, Synthesis and Evaluation of Fused Bicyclo[2.2.2]octene as a Potential Core Scaffold for the Non-Covalent Inhibitors of SARS-CoV-2 3CL Main Protease.
Barbara Herlah, Andrej Hoivik, Luka Jamšek, Katja Valjavec, Norio Yamamoto

Pharmaceuticals (Basel)· April 2022

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Dynophore-Based Approach in Virtual Screening: A Case of Human DNA Topoisomerase IIα.
Matej Janežič, Katja Valjavec, Kaja Bergant Loboda, Barbara Herlah, Iza Ogris

Int J Mol Sci· December 2021

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Design and synthesis of 3,5-substituted 1,2,4-oxadiazoles as catalytic inhibitors of human DNA topoisomerase IIα.
Kaja Bergant Loboda, Katja Valjavec, Martina Štampar, Gerhard Wolber, Bojana Žegura

Bioorg Chem· June 2020

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Structure-guided optimization of 4,6-substituted-1,3,5-triazin-2(1H)-ones as catalytic inhibitors of human DNA topoisomerase IIα.
Kaja Bergant, Matej Janežič, Katja Valjavec, Izidor Sosič, Stane Pajk

Eur J Med Chem· August 2019

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